Physics and Chemistry, 2010, Vol. 36, No. 5, pp. 589–597. © Pleiades
Publishing, Ltd., 2010.
Russian Text © A.E. Galashev, 2010, published in Fizika i Khimiya Stekla.
Computer Investigation of the Structure of a Porous SiO2 Nanoparticle
under Uniform Tension
A. E. Galashev
Abstract—The behavior of a (SiO2)325
nanoparticle constructed by icosahedral packing of identical blocks and
subjected to uniform tension has been investigated using the molecular dynamics
method. In the nanoparticle, the middle layers are characterized by the largest
oscillations of the internal pressure and potential energy. As the strain
increases, the number of neighboring silicon ions decreases and reaches a
constant value of four at the strain Δl/l =
0.10. With an increase in the strain, the surface tension of the nanoparticle decreases
and passes through a minimum at Δl/l =